(propan-2-yl)(sulfamoyl)amine

• ChemBase ID: 798970
• Molecular Formular: C3H10N2O2S
• Molecular Mass: 138.1887
• Monoisotopic Mass: 138.04629857
• SMILES: N(S(=O)(=O)N)C(C)C
• Canonical SMILES: CC(NS(=O)(=O)N)C
• InChI: InChI=1S/C3H10N2O2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3,(H2,4,6,7)
• InChIKey: ZVNSDZSAOHBAJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)(sulfamoyl)amine
• IUPAC Traditional name: isopropyl(sulfamoyl)amine
• Synonyms: isopropylaminesulfonamide

Database IDs

• CAS Number: 72179-85-2

CALCULATED PROPERTIES

• Acid pKa: 11.819053
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.99424505
• LogD (pH = 7.4): -0.99425954
• Log P: -0.9942449
• Molar Refractivity: 30.9057 cm^3
• Polarizability: 13.169777 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%